2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarbamoyl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(methylcarbamoyl)acetamide Formula: C12H13BrN6O2S MolecularWeight: 385.23962

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CNC(=O)NC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C12H13BrN6O2S/c1-15-11(21)16-9(20)6-22-12-18-17-10(19(12)14)7-4-2-3-5-8(7)13/h2-5H,6,14H2,1H3,(H2,15,16,20,21)